BDBM22113 (3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol::(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol::(3R,4S)-1-[(9-Deazaadenin-9-yl)methyl]-3-hydroxy-4-methylthiomethylpyrrolidine, 7::DADMe-ImmA-Me::MT-DADMe-ImmA

SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O

InChI Key InChIKey=NTHMDFGHOCNNOE-ZJUUUORDSA-N

Data  9 KI  8 Kd

PDB links: 7 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 22113   

Target5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase(Escherichia coli)
Victoria University Of Wellington

Curated by ChEMBL
LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKi:  0.00200nMAssay Description:Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate assessed as inhibition...More data for this Ligand-Target Pair
Target5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase(Escherichia coli (strain K12))
Industrial Research

LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKi:  0.0480nM ΔG°:  -13.9kcal/molepH: 7.0 T: 2°CAssay Description:Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...More data for this Ligand-Target Pair
Target5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase(Escherichia coli)
Victoria University Of Wellington

Curated by ChEMBL
LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKi:  0.0480nMAssay Description:Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate by xanthine oxidase co...More data for this Ligand-Target Pair
Target5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase(Escherichia coli (strain K12))
Industrial Research

LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKi:  0.0730nM ΔG°:  -13.8kcal/molepH: 7.5 T: 2°CAssay Description:Purified MTAN activity in MTAN enzyme inhibition assayMore data for this Ligand-Target Pair
TargetS-methyl-5'-thioadenosine phosphorylase(Homo sapiens (Human))
Victoria University Of Wellington

Curated by ChEMBL
LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKi:  0.0780nMAssay Description:Inhibition of human MTAP using methylthioadenosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex...More data for this Ligand-Target Pair
TargetS-methyl-5'-thioadenosine phosphorylase(Homo sapiens (Human))
Victoria University Of Wellington

Curated by ChEMBL
LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKi:  0.0900nMAssay Description:Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorolysis/hydrolysisMore data for this Ligand-Target Pair
TargetS-methyl-5'-thioadenosine phosphorylase(Homo sapiens (Human))
Victoria University Of Wellington

Curated by ChEMBL
LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKi:  0.530nMAssay Description:Inhibition of human MTAP using methylthioadenosine as substrate by xanthine oxidase coupling enzyme assayMore data for this Ligand-Target Pair
TargetS-methyl-5'-thioadenosine phosphorylase(Homo sapiens (Human))
Victoria University Of Wellington

Curated by ChEMBL
LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKi:  1.70nM ΔG°:  -11.8kcal/molepH: 7.0 T: 2°CAssay Description:Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...More data for this Ligand-Target Pair
TargetAdenosylhomocysteine nucleosidase(Streptococcus pneumoniae)
Industrial Research

LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKi:  24nM ΔG°:  -10.3kcal/molepH: 7.0 T: 2°CAssay Description:Enzyme activity was monitored by absorbance change in the xanthine oxidase coupled assay, which measures the formation of 2,8-dihydroxyadenine at 293...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetS-methyl-5'-thioadenosine phosphorylase(Homo sapiens (Human))
Victoria University Of Wellington

Curated by ChEMBL
LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKd:  0.0860nMpH: 7.5 T: 2°CAssay Description:Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.More data for this Ligand-Target Pair
TargetS-methyl-5'-thioadenosine phosphorylase(Homo sapiens (Human))
Victoria University Of Wellington

Curated by ChEMBL
LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKd:  0.0340nMpH: 7.5 T: 2°CAssay Description:Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.More data for this Ligand-Target Pair
Target5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase(Staphylococcus aureus)
Albert Einstein College Of Medicine

LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKd:  1.40nMpH: 7.5 T: 2°CAssay Description:Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteine nucleosidase(Helicobacter pylori)
Albert Einstein College Of Medicine

LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKd:  0.571nMpH: 7.5 T: 2°CAssay Description:Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.More data for this Ligand-Target Pair
Target5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase(Neisseria meningitidis)
Albert Einstein College Of Medicine

LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKd:  0.140nMpH: 7.5 T: 2°CAssay Description:Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteine nucleosidase(Streptococcus pneumoniae)
Albert Einstein College Of Medicine

LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKd:  24nMpH: 7.5 T: 2°CAssay Description:Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase(Escherichia coli (strain K12))
Industrial Research

LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKd:  0.00200nMpH: 7.5 T: 2°CAssay Description:Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.More data for this Ligand-Target Pair
Target5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase(Klebsiella pneumoniae)
Albert Einstein College Of Medicine

LigandPNGBDBM22113((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Affinity DataKd:  0.784nMpH: 7.5 T: 2°CAssay Description:Enzyme activity assay using various bacterial species of 5'-Methylthioadenosine nucleosidases (MTANs) excepted for MTAP, for human MTAP.More data for this Ligand-Target Pair